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102762-46-9 | 4-Piperidinecarboxylic acid, 4-phenyl-1-(3-phenylpropyl)-, ethyl ester
CAS No: 102762-46-9 Catalog No: AG0008AX MDL No:
Product Description
Catalog Number:
AG0008AX
Chemical Name:
4-Piperidinecarboxylic acid, 4-phenyl-1-(3-phenylpropyl)-, ethyl ester
CAS Number:
102762-46-9
Molecular Formula:
C23H29NO2
Molecular Weight:
351.4819
IUPAC Name:
ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate
InChI:
InChI=1S/C23H29NO2/c1-2-26-22(25)23(21-13-7-4-8-14-21)15-18-24(19-16-23)17-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14H,2,9,12,15-19H2,1H3
InChI Key:
JIUNTGIKLXHBHH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCN(CC1)CCCc1ccccc1)c1ccccc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.22g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.49g/mol
Monoisotopic Mass:
351.22g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship exploration of Kv1.3 blockers based on diphenoxylate. | Bioorganic & medicinal chemistry letters 20121201 |
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